8-(3,5-dimethylpyrazol-1-yl)-1-[(4-methoxyphenyl)methyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-1-[(4-methoxyphenyl)methyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-7-isobutyl-1-[(4-methoxyphenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-1-[(4-methoxyphenyl)methyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-1-[(4-methoxyphenyl)methyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-7-isobutyl-3-methyl-1-p-anisyl-xanthine Formula: C23H28N6O3 MolecularWeight: 436.50682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2CC(C)C)C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2CC(C)C)C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)OC)C

InChI

InChI=1S/C23H28N6O3/c1-14(2)12-27-19-20(24-22(27)29-16(4)11-15(3)25-29)26(5)23(31)28(21(19)30)13-17-7-9-18(32-6)10-8-17/h7-11,14H,12-13H2,1-6H3